2-chloro-N-(2-ethoxyphenyl)propanamide

• ChemBase ID: 72092
• Molecular Formular: C11H14ClNO2
• Molecular Mass: 227.68736
• Monoisotopic Mass: 227.07130637
• SMILES: C(=O)(Nc1c(OCC)cccc1)C(Cl)C
• Canonical SMILES: CCOc1ccccc1NC(=O)C(Cl)C
• InChI: InChI=1S/C11H14ClNO2/c1-3-15-10-7-5-4-6-9(10)13-11(14)8(2)12/h4-8H,3H2,1-2H3,(H,13,14)
• InChIKey: IZRPVFOGMIDJRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-ethoxyphenyl)propanamide
• IUPAC Traditional name: 2-chloro-N-(2-ethoxyphenyl)propanamide
• Synonyms: 2-Chloro-N-(2-ethoxyphenyl)propanamide

Database IDs

• MDL Number: MFCD09802011
• PubChem SID: 162037280
• PubChem CID: 42920720

CALCULATED PROPERTIES

• Acid pKa: 11.906795
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5162008
• LogD (pH = 7.4): 2.5161881
• Log P: 2.516201
• Molar Refractivity: 61.3799 cm^3
• Polarizability: 23.250523 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.317

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%